Study of an arginine- and tryptophan-rich antimicrobial peptide in peri-implantitis.

The combination of hydrophilic arginine residues and hydrophobic tryptophan residues is considered to be the first choice for designing short-chain antimicrobial peptides (AMPs) due to their potent antibacterial activity. Based on this, we designed an arginine- and tryptophan-rich short peptide, VR-12. Peri-implantitis is a significant microbial inflammatory disorder characterized by the inflammation of the soft tissues surrounding an implant, which ultimately leads to the progressive resorption of the alveolar bone.

Development and validation of biopsy free nomograms for predicting clinically significant prostate cancer in men with PI-RADS 4 and 5 lesions.

To develop and validate biopsy-free nomograms to more accurately predict clinically significant prostate cancer (csPCa) in biopsy-naïve men with prostate imaging reporting and data system (PI-RADS) ≥ 4 lesions. A cohort of 931 patients with PI-RADS ≥ 4 lesions, undergoing prostate biopsies or radical prostatectomy from January 2020 to August 2023, was analyzed. Various clinical variables, including age, prostate-specific antigen (PSA) levels, prostate volume (PV), PSA density (PSAD), prostate health index (PHI), and maximum standardized uptake values (SUVmax) from PSMA PET-CT imaging, were assessed for predicting csPCa.

Discovery of sugar-based natural framework as phytopathogenic virus capsid protein inhibitors using a state-of-the-art multiple screening strategy.

The prompt and efficient identification of targeted inhibitors against unscrupulous pathogenic viruses holds promise for preventing epidemic disease outbreaks. Herein, a comprehensive multichannel screening method (multiple docking cross-validation, molecular dynamics simulation, and density functional theory calculation) integrated with bioactivity identification is rationally established using sugar-based natural ligand libraries to target tobacco mosaic virus (TMV) capsid proteins. Encouragingly, compounds A0 (K = 0.

Neptunizhulides, Cryptic -AT Polyketide Synthase-Derived Metabolites from NBU2194.

Genome mining of NBU2194 resulted in the identification of a family of 17-membered macrolides, neptunizhulides A-F. Their structures were elucidated by comprehensive spectroscopic data analysis. Stereochemical assignments of the neptunizhulides were determined by -based configuration analysis, ROESY NMR, Mosher's ester derivatization, and bioinformatic predictions.

van der Waals Photonic Bipolar Junction Transistors Capable of Simultaneously Discerning Wavelength Bands and Dual-Function Chip Application.

The exponential growth of the Internet of Things (IoTs) has led to the widespread deployment of millions of sensors, crucial for the sensing layer's perception capabilities. In particular, there is a strong interest in intelligent photonic sensing. However, the current photonic sensing device and chip typically offer limited functionality, and the devices providing their power take up excessive amounts of space.

A Domain Adaptive Interpretable Substructure-Aware Graph Attention Network for Drug-Drug Interaction Prediction.

Accurate prediction of drug-drug interaction (DDI) is essential to improve clinical efficacy, avoid adverse effects of drug combination therapy, and enhance drug safety. Recently researchers have developed several computer-aided methods for DDI prediction. However, these methods lack the substructural features that are critical to drug interactions and are not effective in generalizing across domains and different distribution data.

Renoprotective effects of remote ischemic preconditioning on acute kidney injury induced by repeated tourniquet application in patients undergoing extremity surgery.

Objective: Limb ischemia-reperfusion injury caused by repeated tourniquet application usually leads to acute kidney injury, adversely affecting patient prognosis. This study aimed to investigate the renoprotective effect of remote ischemic preconditioning (RIPC) in patients undergoing extremity surgery with repeated tourniquet application.

Methods: 64 patients were enrolled and randomly divided into an RIPC group and a control group, with 32 patients in each.

In Vivo Neurodynamics Mapping via High-Speed Two-Photon Fluorescence Lifetime Volumetric Projection Microscopy.

Monitoring the morphological and biochemical information of neurons and glial cells at high temporal resolution in three-dimensional (3D) volumes of in vivo is pivotal for understanding their structure and function, and quantifying the brain microenvironment. Conventional two-photon fluorescence lifetime volumetric imaging speed faces the acquisition speed challenges of slow serial focal tomographic scanning, complex post-processing procedures for lifetime images, and inherent trade-offs among contrast, signal-to-noise ratio, and speed. This study presents a two-photon fluorescence lifetime volumetric projection microscopy using an axially elongated Bessel focus and instant frequency-domain fluorescence lifetime technique, and integrating with a convolutional network to enhance the imaging speed for in vivo neurodynamics mapping.

The advancement of structure, bioactivity, mechanism, and synthesis of bufotalin.

Toad venom, a family of toxic yet pharmacologically valuable biotoxins, has long been utilized in traditional medicine and holds significant promise in modern drug development. Bufotalin, a prominent bufotoxin, has demonstrated potent cytotoxic properties through mechanisms such as apoptosis induction, cell cycle arrest, endoplasmic reticulum stress activation, and inhibition of metastasis by modulating key pathways including Akt, p53, and STAT3/EMT signaling-these multi-target mechanisms position bufotalin as a promising agent to combat multidrug resistance in cancer therapy. Additionally, advances in bufotalin synthesis, including chemical and biocatalytic methods, have streamlined production, with strategies such as C14α-hydroxylation and novel coupling techniques enhancing yield and reducing environmental impact.

From Chains to Arrays: Substrate-Mediated Self-Assembly of Diboron Molecules.

In this study, we explore the substrate-mediated control of self-assembly behavior in diboron molecules (CHBO, BCat) using scanning tunneling microscopy (STM). The structural transformation of BCat molecules from one-dimensional (1D) molecular chains to two-dimensional (2D) molecular arrays was achieved by changing the substrate from Au(111) to bilayer graphene (BLG), highlighting the key role of substrate interactions in determining the assembly structure. Notably, the B-B bond in the molecular arrays on BLG is distinctly pronounced, reflecting a more refined molecular resolution with distinct electronic states than that on Au(111).

Durian: A Comprehensive Benchmark for Structure-Based 3D Molecular Generation.

Three-dimensional (3D) molecular generation models employ deep neural networks to simultaneously generate both topological representation and molecular conformations. Due to their advantages in utilizing the structural and interaction information on targets, as well as their reduced reliance on existing bioactivity data, these models have attracted widespread attention. However, limited training and testing data sets and the unexpected biases inherent in single evaluation metrics pose a significant challenge in comparing these models in practical settings.

Immune-mediated liver injury caused by immune checkpoint inhibitors exhibits distinct clinical features that differ from autoimmune hepatitis.

Background: Immune-mediated liver injury caused by immune checkpoint inhibitors (ILICI) and autoimmune hepatitis (AIH) are both related to the distorted immune system. However, ILICI differs from AIH in several distinct ways. We aimed to study the differences between ILICI and AIH.

3DSMILES-GPT: 3D molecular pocket-based generation with token-only large language model.

The generation of three-dimensional (3D) molecules based on target structures represents a cutting-edge challenge in drug discovery. Many existing approaches often produce molecules with invalid configurations, unphysical conformations, suboptimal drug-like qualities, limited synthesizability, and require extensive generation times. To address these challenges, we present 3DSMILES-GPT, a fully language-model-driven framework for 3D molecular generation that utilizes tokens exclusively.

Tm-Based Downshifting Nanoprobes with Enhanced Luminescence at 1680 nm for In Vivo Vascular Growth Monitoring.

Optical imaging in the 1500-1700 nm region, known as near-infrared IIb (NIR-IIb), shows potential for noninvasive in vivo detection owing to its ultrahigh tissue penetration depth and spatiotemporal resolution. Rare earth-doped nanoparticles have emerged as widely used NIR-IIb probes because of their excellent optical properties. However, their downshifting emissions rarely exhibit sufficient brightness beyond 1600 nm.

Construction and validation of an immune gene-based model for diagnosis and risk prediction of severe asthma.

Objective: Severe asthma (SA) is a serious disease with limited treatment options, which is closely linked to immune dysfunction. Therefore, immune-associated biomarkers may diagnose SA and offer therapeutic targets for SA.

Methods: The gene expression profiles of SA patients and matched controls were from the National Center for Biotechnology Information database.

A new species and a new record of Urytalpa Edwards, 1929 (Diptera: Keroplatidae) from China.

One new species and a new record of Urytalpa (Diptera: Keroplatidae: Keroplatinae), U. leigongshana sp. n.

Construction of rhodamine-based fluorescent sensor for fast, on-site quantitative detection of hazardous salicylic acid in practical sample analysis.

Salicylic acid (SA) is widely used in food storage, preservatives, additives, healthcare, and the pharmaceutical industry. However, various poisoning symptoms are frequently reported upon ingestion of a large amount of SA. Therefore, discovering new tools for sensing SA with fast, simple, and portable performance is imperative.

The improved de Bruijn graph for multitask learning: predicting functions, subcellular localization, and interactions of noncoding RNAs.

Noncoding RNA refers to RNA that does not encode proteins. The lncRNA and miRNA it contains play crucial regulatory roles in organisms, and their aberrant expression is closely related to various diseases. Traditional experimental methods for validating the interactions of these RNAs have limitations, and existing prediction models exhibit relatively limited functionality, relying on isolated feature extraction and performing poorly in handling various types of small sample tasks.

SERS-Encoded Nanoprobes Based on Silver-Coated Gold Nanorods for Cell Sorting.

Optically-encoded probes have great potential for applications in the fields of biosensing and imaging. By employing specific encoding methods, these probes enable the detection of multiple target molecules and high-resolution imaging within the same sample. Among the various encoding methods, surface-enhanced Raman scattering (SERS) spectral encoding stands out due to its extremely narrow linewidth.

Two-Level Electronic Switching in Individual Manganese-Phthalocyanine Molecules with Jahn-Teller Distortion.

Understanding single molecular switches is a crucial step in designing and optimizing molecular electronic devices with highly nonlinear functionalities, e.g., gate voltage-dependent current switching.

A stepwise integrated strategy to explore quality markers of Qishen Yiqi dripping pills against myocardial ischemia.

Background: Numerous experiments and clinical practices have demonstrated the effectiveness of Qishen Yiqi dripping pills (QSYQ) on myocardial ischemia (MI). However, the bioactive ingredients and mechanisms remain unclear, leading to huge gaps between quality control and biological effect of QSYQ. Discovering quality markers (Q-markers) based on effective components is crucial for ensuring stable quality and clinical effectiveness of QSYQ.